β-Aspartylaspartic acid - ≥95% , CAS No.60079-22-3

CAS: 60079-22-3 Cat. No.: A651001 Summenformel: C₈H₁₂N₂O₇ Molekulargewicht: 248.19 PubChem CID: 453623

GRADE & PURITY ≥95%

Synonyms

AS-83127 | 2-[(3-aMino-3-carboxy-propanoyl)aMino]butane | (2S)-2-[[(3S)-3-amino-4-hydroxy-4-oxo-butanoyl]amino]butanedioic acid | (S)-2-((S)-3-Amino-3-carboxypropanamido)succinicacid | beta-L-aspartyl-L-aspartic acid | CHEBI:194400 | A-aspartylaspartic ac

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

β-Aspartylaspartic acid is a natural compound found in Asparagus ( Asparagus officinalis ) Shoots.

Form:Solid

Specifications

Synonyme

AS-83127 | 2-[(3-aMino-3-carboxy-propanoyl)aMino]butane | (2S)-2-[[(3S)-3-amino-4-hydroxy-4-oxo-butanoyl]amino]butanedioic acid | (S)-2-((S)-3-Amino-3-carboxypropanamido)succinicacid | beta-L-aspartyl-L-aspartic acid | CHEBI:194400 | A-aspartylaspartic ac

Spezifikationen & Reinheit

≥95%

Biochemische und physiologische Mechanismen

β-Aspartylaspartic acid is a natural compound found in Asparagus ( Asparagus officinalis ) Shoots.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: C(C(C(=O)O)N)C(=O)NC(CC(=O)O)C(=O)O
• IUPAC Name: (2S)-2-[[(3S)-3-amino-3-carboxypropanoyl]amino]butanedioic acid
• InChIKey: KXAWLANLJYMEGB-IMJSIDKUSA-N
• INCHI: 1S/C8H12N2O7/c9-3(7(14)15)1-5(11)10-4(8(16)17)2-6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)/t3-,4-/m0/s1
• Isomere SMILES: C([C@@H](C(=O)O)N)C(=O)N[C@@H](CC(=O)O)C(=O)O
• Alternative CAS-Nummer: 60079-22-3
• PubChem CID: 453623
• MeSH-Eintrag: Asp-Asp;aspartyl-aspartic acid;beta-L-aspartyl-L-aspartic acid
• Molekulargewicht: 248.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Peptidomimetics
      • Subclass Hybrid peptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Peptidomimetics
• Subclass: Hybrid peptides
• Intermediate Tree Nodes: Not available
• Direct Parent: Hybrid peptides
• Alternative Parents: Aspartic acid and derivatives Asparagine and derivatives N-acyl-L-alpha-amino acids Acyl L-homoserines L-alpha-amino acids Tricarboxylic acids and derivatives N-acyl amines Secondary carboxylic acid amides Amino acids Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hybrid peptide - Aspartic acid or derivatives - Asparagine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Acyl-homoserine - Acyl-l-homoserine - N-acyl-l-alpha-amino acid - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Tricarboxylic acid or derivatives - Fatty acyl - N-acyl-amine - Fatty amide - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Primary aliphatic amine - Primary amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : 100 mg/mL (402.92 mM; Need ultrasonic)
• Molekulargewicht: 248.190 g/mol
• XLogP3: -5.000
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 248.064 Da
• Monoisotopic Mass: 248.064 Da
• Topological Polar Surface Area: 167.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 341.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1